4-[2-(1-methylsulfonylpiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(1-methylsulfonylpiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[(1-methylsulfonyl-3-piperidyl)oxy]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[(1-methylsulfonyl-3-piperidinyl)oxy]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(1-methylsulfonylpiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[(1-mesyl-3-piperidyl)oxy]phenyl]piperazine-1-carboxylic acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)OC2=CC=CC=C2N3CCN(CC3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)OC2=CC=CC=C2N3CCN(CC3)C(=O)O

InChI

InChI=1S/C17H25N3O5S/c1-26(23,24)20-8-4-5-14(13-20)25-16-7-3-2-6-15(16)18-9-11-19(12-10-18)17(21)22/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,21,22)